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Molecule
Hexamethylcyclotrisiloxane
CAS: 541-05-9 · C6H18O3Si3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 541-05-9
- Molecular Formula
- C6H18O3Si3
- Molecular Mass
- 222.47 g/mol
Identifiers
CAS Registry Number
541-05-9
SMILES
C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1
InChI Key
HTDJPCNNEPUOOQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H18O3Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h1-6H3
Names and Synonyms
- Hexamethylcyclotrisiloxane Common Name
- Cyclotrisiloxane, 2,2,4,4,6,6-hexamethyl- Synonym
- Cyclotrisiloxane, hexamethyl- Synonym
- 2,2,4,4,6,6-Hexamethylcyclotrisiloxane Synonym
- Dimethylsiloxane cyclic trimer Synonym
- Hexamethylcyclotrisiloxane Synonym
- SDK 10 Synonym
- LS 8120 Synonym
- D 3 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Melting Point | 64.5 °C | CAS Common Chemistry |
| Molecular Mass | 222.47 g/mol | CAS Common Chemistry |
| 222.46499999999995 g/mol | RDKit | |
| 222.465 g/mol | RDKit | |
| Density | 1.02 g/cm³ | CAS Common Chemistry |
| 1.020 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Hexamethylcyclotrisiloxane | CAS Common Chemistry |
| Boiling Point | 134 °C | CAS Common Chemistry |
| Canonical SMILES | O1[Si](O[Si](O[Si]1(C)C)(C)C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H18O3Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HTDJPCNNEPUOOQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Hexamethylcyclotrisiloxane | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 2.1552 | RDKit |
| 2.21 | chempirical lib | |
| Molar Refractivity | 55.701000000000036 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 222.056374026 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 222.47 g/mol; density = 1.020 g/mL. Edit any field — others recompute live.
